6-chloranyl-4-[(3-fluoranyl-4-methoxy-phenyl)methyl-piperidin-4-yl-amino]-1-methyl-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[(3-fluoranyl-4-methoxy-phenyl)methyl-piperidin-4-yl-amino]-1-methyl-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-4-[(3-fluoro-4-methoxy-phenyl)methyl-(4-piperidyl)amino]-1-methyl-2-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-4-[(3-fluoro-4-methoxyphenyl)methyl-(4-piperidinyl)amino]-1-methyl-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-4-[(3-fluoro-4-methoxyphenyl)methyl-piperidin-4-ylamino]-1-methyl-2-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-4-[(3-fluoro-4-methoxy-benzyl)-(4-piperidyl)amino]-2-keto-1-methyl-quinoline-3-carboxylic acid Formula: C24H25ClFN3O4 MolecularWeight: 473.924403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)O)N(CC3=CC(=C(C=C3)OC)F)C4CCNCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)O)N(CC3=CC(=C(C=C3)OC)F)C4CCNCC4

InChI

InChI=1S/C24H25ClFN3O4/c1-28-19-5-4-15(25)12-17(19)22(21(23(28)30)24(31)32)29(16-7-9-27-10-8-16)13-14-3-6-20(33-2)18(26)11-14/h3-6,11-12,16,27H,7-10,13H2,1-2H3,(H,31,32)